Trimethylsilyldiazomethane

CAS: 18107-18-1 · C4H10N2Si

2D Structure

Loading 3D structure...

CAS Registry Number

18107-18-1

SMILES

C[Si](C)(C)C=[N+]=[N-]

InChI Key

ONDSBJMLAHVLMI-UHFFFAOYSA-N

InChI

InChI=1S/C4H10N2Si/c1-7(2,3)4-6-5/h4H,1-3H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	114.22 g/mol	CAS Common Chemistry
	114.22399999999999 g/mol	RDKit
	114.224 g/mol	RDKit
Density	0.68 g/cm³	CAS Common Chemistry
	0.675 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Trimethylsilyldiazomethane	CAS Common Chemistry
Boiling Point	96 °C	CAS Common Chemistry
Canonical SMILES	[N-]=[N+]=C[Si](C)(C)C	CAS Common Chemistry
InChI	InChI=1S/C4H10N2Si/c1-7(2,3)4-6-5/h4H,1-3H3	CAS Common Chemistry
InChI Key	InChIKey=ONDSBJMLAHVLMI-UHFFFAOYSA-N	CAS Common Chemistry
Name	Trimethylsilyldiazomethane	CAS Common Chemistry
Heavy Atom Count	7	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	36.400000000000006 Å²	RDKit
	36.4 Å²	RDKit
	36.15 Å²	chempirical lib
LogP	1.1643999999999999	RDKit
	1.1644	RDKit
Molar Refractivity	33.02939999999998 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.75	RDKit
Exact Mass	114.06132484999999 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 114.22 g/mol; density = 0.680 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)